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BDBM66127 (5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylidene)-2-thioxo-thiazolidin-4-one::(5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one::(5E)-3-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one::(5E)-5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one::(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone::MLS001194445::SMR000555227::cid_1214175

SMILES: COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O

InChI Key: InChIKey=OUYFSZNFCWTUFO-MHWRWJLKSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 66127   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
PDB
MMDB

KEGG

B.MOAD
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UniChem

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PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
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KEGG

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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
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n/an/a 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM66127
PNG
((5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylide...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Show InChI InChI=1S/C19H17NO4S2/c1-23-14-8-13(9-15(24-2)17(14)21)10-16-18(22)20(19(25)26-16)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3/b16-10+
PDB
MMDB

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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair